methyl (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(2,4-dioxopyrimidin-1-yl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(2,4-dioxo-1-pyrimidinyl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(2,4-dioxopyrimidin-1-yl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(2,4-diketopyrimidin-1-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C34H43N7O9 MolecularWeight: 693.74672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CN1C=CC(=O)NC1=O)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CN1C=CC(=O)NC1=O)NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C34H43N7O9/c1-20(2)15-26(33(48)50-3)39-32(47)27(19-41-14-13-28(43)40-34(41)49)37-29(44)18-36-31(46)25(17-21-7-5-4-6-8-21)38-30(45)24(35)16-22-9-11-23(42)12-10-22/h4-14,20,24-27,42H,15-19,35H2,1-3H3,(H,36,46)(H,37,44)(H,38,45)(H,39,47)(H,40,43,49)/t24-,25+,26-,27-/m0/s1